Perf: replace unnecessary `torch.split` with indexing #4505

caic99 · 2024-12-25T12:22:44Z

Some operations only use the first segment of the result tensor of torch.split. In this case, all the other segments are created and discarded. This slightly adds an overhead to the training process.

Summary by CodeRabbit

Bug Fixes
- Simplified tensor slicing operations in the RepformerLayer class and the nlist_distinguish_types function, enhancing readability and performance.
Documentation
- Updated comments for clarity regarding tensor shapes in the RepformerLayer class.

Some operations only use the first segment of the result tensor of `torch.split`. In this case, all the other segments are created and discarded. This slightly adds an overhead to the training process.

coderabbitai · 2024-12-25T12:24:53Z

📝 Walkthrough

Walkthrough

This pull request introduces minor modifications in two Python files within the DeepMD project. The changes primarily focus on simplifying tensor manipulation by replacing torch.split operations with direct tensor slicing. In the RepformerLayer class and nlist_distinguish_types function, the modifications aim to enhance code readability and potentially improve performance by using more straightforward tensor indexing techniques.

Changes

File	Change Summary
`deepmd/pt/model/descriptor/repformer_layer.py`	Updated `_cal_grrg` method to use direct tensor slicing (`h2g2[..., :axis_neuron]`) instead of `torch.split`
`deepmd/pt/utils/nlist.py`	Modified `nlist_distinguish_types` function to use direct tensor slicing when appending elements to `ret_nlist`

Possibly related PRs

perf: optimize training loop #4426: Changes in nlist_distinguish_types and _cal_grrg methods both involve replacing torch.split with simpler slicing operations

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njzjz

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Reviewing files that changed from the base of the PR and between beeb3d9 and e44a3d4.

📒 Files selected for processing (2)

deepmd/pt/model/descriptor/repformer_layer.py (1 hunks)
deepmd/pt/utils/nlist.py (1 hunks)

🔇 Additional comments (2)

deepmd/pt/utils/nlist.py (1)

313-313: Improved performance by slicing instead of splitting.

This change eliminates the overhead of creating unnecessary tensor segments. The direct slice [..., :ss] is more efficient and clearly communicates the intention to only use the first ss elements.

deepmd/pt/model/descriptor/repformer_layer.py (1)

1006-1006: Slicing usage aligns with best practices.

Replacing torch.split with direct slicing [..., :axis_neuron] simplifies the logic and avoids unnecessary tensor allocations. This approach should offer a slight performance improvement while keeping the code more readable.

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codecov · 2024-12-25T15:46:50Z

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.58%. Comparing base (47412da) to head (e44a3d4).
Report is 74 commits behind head on devel.

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #4505      +/-   ##
==========================================
+ Coverage   84.41%   84.58%   +0.17%     
==========================================
  Files         670      675       +5     
  Lines       62152    63575    +1423     
  Branches     3486     3486              
==========================================
+ Hits        52465    53778    +1313     
- Misses       8561     8671     +110     
  Partials     1126     1126

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caic99 · 2025-01-02T04:06:45Z

torch.split is an expensive function consisting of kernels on creating and copying data. My test result on dpa3-alpha branch shows a speedup of 2%.

) Some operations only use the first segment of the result tensor of `torch.split`. In this case, all the other segments are created and discarded. This slightly adds an overhead to the training process.  ## Summary by CodeRabbit - **Bug Fixes** - Simplified tensor slicing operations in the `RepformerLayer` class and the `nlist_distinguish_types` function, enhancing readability and performance. - **Documentation** - Updated comments for clarity regarding tensor shapes in the `RepformerLayer` class.  (cherry picked from commit 3cecca4)

Perf: replace unnecessary torch.split with indexing

e44a3d4

Some operations only use the first segment of the result tensor of `torch.split`. In this case, all the other segments are created and discarded. This slightly adds an overhead to the training process.

github-actions bot added the Python label Dec 25, 2024

iProzd approved these changes Dec 25, 2024

View reviewed changes

njzjz added this pull request to the merge queue Dec 25, 2024

Merged via the queue into deepmodeling:devel with commit 3cecca4 Dec 25, 2024
61 checks passed

caic99 deleted the split branch December 26, 2024 02:15

njzjz added this to the v3.0.2 milestone Feb 9, 2025

coderabbitai bot mentioned this pull request Mar 31, 2025

perf: use torch.split in replace of slicing ops in repflow #4687

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Perf: replace unnecessary `torch.split` with indexing #4505

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